methyl 4-(3-nitro-1,2,4-triazol-1-yl)butanoate

Systemtic Name: methyl 4-(3-nitro-1,2,4-triazol-1-yl)butanoate Openeye Name: methyl 4-(3-nitro-1,2,4-triazol-1-yl)butanoate CAS Name: 4-(3-nitro-1,2,4-triazol-1-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(3-nitro-1,2,4-triazol-1-yl)butanoate Traditional Name: 4-(3-nitro-1,2,4-triazol-1-yl)butyric acid methyl ester Formula: C7H10N4O4 MolecularWeight: 214.1787

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C=NC(=N1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCN1C=NC(=N1)[N+](=O)[O-]

InChI

InChI=1S/C7H10N4O4/c1-15-6(12)3-2-4-10-5-8-7(9-10)11(13)14/h5H,2-4H2,1H3